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Warren, T.K., Jordan, R., Lo, M.K., Ray, A.S., Mackman, R.L., Soloveva, V., Siegel, D., Perron, M., Bannister, R., Hui, H.C., Larson, N., Strickley, R., Wells, J., Stuthman1, K.S., Van Tongeren1, S.A., Garza, N.L., Donnelly, G., Shurtleff, A.C., Retterer, C.J., Gharaibeh, D., Zamani, R., Kenny, T., Eaton1, B.P., Grimes, E., Welch, L.S., Gomba, L., Wilhelmsen, C.L., Nichols, D.K., Nuss, J.E., Nagle, E.R., Kugelman, J.R., Palacios, G., Doerffler, E., Neville, S., Carra, E., Clarke, M.O., Zhang, L., Lew, W., Ross, B., Wang, Q., Chun, K., Wolfe, L., Babusis, D., Park, Y., Stray, K.M., Trancheva, I., Feng, J.Y., Barauskas, O., Xu, Y., Wong, P., Braun, M.R., Flint, M., McMullan, L.K., Chen, S., Fearns, R., Swaminathan, S., Mayers, D.L., Spiropoulou, C.F., Lee, W.A., Nichol, S.T., Cihlar, T. and Bavari, S. (2016) Therapeutic Efficacy of the Small Molecule GS-5734 against Ebola Virus in Rhesus Monkeys. Nature, 531, 381-385.
https://doi.org/10.1038/nature17180

has been cited by the following article:

• TITLE: Character of Frontier Orbitals of Antiviral Drugs: Candidate Drugs against Covid-19

  AUTHORS: Yoshihiro Mizukami

  KEYWORDS: Covid-19, Antiviral Drugs, Frontier Orbitals, Ribonucleotides

  JOURNAL NAME: Open Journal of Physical Chemistry, Vol.10 No.3, August 3, 2020

  ABSTRACT: We performed density functional theory (DFT) calculations for ribonucleotides and active triphosphate metabolites of candidate drugs against Coronavirus disease 2019 (Covid-19). Frontier orbitals (highest occupied molecular orbital and lowest unoccupied molecular orbital) at optimized structure of each molecule were obtained. T-705RTP (active triphosphate metabolite of favipiravir) and cytidine triphosphate (CTP) have similar shapes of frontier orbitals. We also obtained similar shapes of frontier orbitals among dihydroxy GS-441524 triphosphate (GS-441524 is an active triphosphate metabolite of remdesivir) and adenosine triphosphate (ATP). From a theoretical viewpoint, we suggest T-705RTP is a CTP analogue and dihydroxy GS-441524 triphosphate is an ATP analogue.